SpectraBase Spectrum ID |
CyYhV40M7Ly |
Name |
Glutaric acid, hept-2-yl 3,7-dimethyloctyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
370.308309828 u |
Formula |
C22H42O4 |
InChI |
InChI=1S/C22H42O4/c1-6-7-8-13-20(5)26-22(24)15-10-14-21(23)25-17-16-19(4)12-9-11-18(2)3/h18-20H,6-17H2,1-5H3 |
InChIKey |
VGZBWWZHVGXHCF-UHFFFAOYSA-N |
Molecular Weight |
370.574 g/mol |
SMILES |
C(CCC(OC(C)CCCCC)=O)C(OCCC(CCCC(C)C)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976872 |